N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen

C44H50F3N7O7 — CID 154684328

IUPACN-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen
SMILESCC.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCC2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(N2CCOCC2)c1.[H][H].[H][H]
InChIInChI=1S/C42H40F3N7O7.C2H6.2H2/c1-24-32(19-29(22-46-24)48-37(54)26-3-2-4-28(17-26)42(43,44)45)27-18-35(51-13-15-58-16-14-51)39(47-21-27)59-23-25-9-11-50(12-10-25)30-5-6-31-33(20-30)41(57)52(40(31)56)34-7-8-36(53)49-38(34)55;1-2;;/h2-6,17-22,25,34H,7-16,23H2,1H3,(H,48,54)(H,49,53,55);1-2H3;2*1H
InChIKeyBDJXSFMCMBZVJU-UHFFFAOYSA-N
MW845.92 g/mol
LogP6.77
Rot. Bonds9

About N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen

N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen (PubChem CID 154684328) has the molecular formula C44H50F3N7O7 and a molecular weight of 845.92 g/mol. Its IUPAC name is N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen
PubChem CID154684328
Molecular FormulaC44H50F3N7O7
Molecular Weight845.92 g/mol
Exact Mass845.37
IUPAC NameN-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen
SMILESCC.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCC2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(N2CCOCC2)c1.[H][H].[H][H]
InChIInChI=1S/C42H40F3N7O7.C2H6.2H2/c1-24-32(19-29(22-46-24)48-37(54)26-3-2-4-28(17-26)42(43,44)45)27-18-35(51-13-15-58-16-14-51)39(47-21-27)59-23-25-9-11-50(12-10-25)30-5-6-31-33(20-30)41(57)52(40(31)56)34-7-8-36(53)49-38(34)55;1-2;;/h2-6,17-22,25,34H,7-16,23H2,1H3,(H,48,54)(H,49,53,55);1-2H3;2*1H
InChIKeyBDJXSFMCMBZVJU-UHFFFAOYSA-N
XLogP6.77
TPSA163.37 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500845.92
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen with MolForge

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Related Compounds

N-(2-methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90408826
N-[5-[6-[(3R,4S)-3-fluorooxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609669
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118870913
(3S)-N-[5-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 163222696
(3S)-N-[3-[6-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 163222701
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 90408156
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90408627
N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90442606
2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 90460976
2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461037
2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)phenyl]pyridine-4-carboxamide
CID 90461225
3-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]benzamide
CID 90461389

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen?
The IUPAC name of N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen (CID 154684328) is N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen.
What is the SMILES notation for N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen?
The canonical SMILES for N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen is CC.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCC2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(N2CCOCC2)c1.[H][H].[H][H].
What is the InChIKey of N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen?
The InChIKey is BDJXSFMCMBZVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40F3N7O7.C2H6.2H2/c1-24-32(19-29(22-46-24)48-37(54)26-3-2-4-28(17-26)42(43,44)45)27-18-35(51-13-15-58-16-14-51)39(47-21-27)59-23-25-9-11-50(12-10-25)30-5-6-31-33(20-30)41(57)52(40(31)56)34-7-8-36(53)49-38(34)55;1-2;;/h2-6,17-22,25,34H,7-16,23H2,1H3,(H,48,54)(H,49,53,55);1-2H3;2*1H.
What are the key properties of N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen?
N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen has a molecular weight of 845.92 g/mol, XLogP of 6.77, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;ethane;molecular hydrogen is sourced from PubChem (CID 154684328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).